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13908-36-6 | Urea, N-(4-amino-3,5-dichlorophenyl)-N'-(2-chloroethyl)-
CAS No: 13908-36-6 Catalog No: AG001A66 MDL No:
Product Description
Catalog Number:
AG001A66
Chemical Name:
Urea, N-(4-amino-3,5-dichlorophenyl)-N'-(2-chloroethyl)-
CAS Number:
13908-36-6
Molecular Formula:
C9H10Cl3N3O
Molecular Weight:
282.5542
IUPAC Name:
1-(4-amino-3,5-dichlorophenyl)-3-(2-chloroethyl)urea
InChI:
InChI=1S/C9H10Cl3N3O/c10-1-2-14-9(16)15-5-3-6(11)8(13)7(12)4-5/h3-4H,1-2,13H2,(H2,14,15,16)
InChI Key:
ZRRXILHBUVFOHG-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1cc(Cl)c(c(c1)Cl)N
NSC Number:
92169
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.549g/mol
Monoisotopic Mass:
280.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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